(4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one

C20H26N4O2 — CID 143450757

IUPAC(4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one
SMILESC=C1NC(=N/CCN2CCOCC2)/C=C\C(C)NC(=O)c2ccccc21
InChIInChI=1S/C20H26N4O2/c1-15-7-8-19(21-9-10-24-11-13-26-14-12-24)23-16(2)17-5-3-4-6-18(17)20(25)22-15/h3-8,15H,2,9-14H2,1H3,(H,21,23)(H,22,25)/b8-7-
InChIKeyWKOJDUTZMWVSBQ-FPLPWBNLSA-N
MW354.45 g/mol
LogP1.67
Rot. Bonds3

About (4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one

(4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one (PubChem CID 143450757) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one.

Molecular Properties

Compound Name(4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one
PubChem CID143450757
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one
SMILESC=C1NC(=N/CCN2CCOCC2)/C=C\C(C)NC(=O)c2ccccc21
InChIInChI=1S/C20H26N4O2/c1-15-7-8-19(21-9-10-24-11-13-26-14-12-24)23-16(2)17-5-3-4-6-18(17)20(25)22-15/h3-8,15H,2,9-14H2,1H3,(H,21,23)(H,22,25)/b8-7-
InChIKeyWKOJDUTZMWVSBQ-FPLPWBNLSA-N
XLogP1.67
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(2-morpholin-4-ylethylimino)naphthalene-1,4-dione
CID 6928252
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934635
2-methyl-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidin-4-one
CID 83245208
2-hydroxy-1-(2-morpholin-4-ylethylimino)benzo[g]isoquinoline-5,10-dione;dihydrochloride
CID 67916555
2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine
CID 58722068
4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136755260
2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one
CID 66885078
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzothiazol-2-imine
CID 140917809
3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one
CID 167326828
1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 1400115
2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
CID 74224335

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one?
The IUPAC name of (4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one (CID 143450757) is (4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one.
What is the SMILES notation for (4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one?
The canonical SMILES for (4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one is C=C1NC(=N/CCN2CCOCC2)/C=C\C(C)NC(=O)c2ccccc21.
What is the InChIKey of (4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one?
The InChIKey is WKOJDUTZMWVSBQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-7-8-19(21-9-10-24-11-13-26-14-12-24)23-16(2)17-5-3-4-6-18(17)20(25)22-15/h3-8,15H,2,9-14H2,1H3,(H,21,23)(H,22,25)/b8-7-.
What are the key properties of (4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one?
(4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one has a molecular weight of 354.45 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-methyl-1-methylidene-3-(2-morpholin-4-ylethylimino)-6,7-dihydro-2,7-benzodiazecin-8-one is sourced from PubChem (CID 143450757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).